SCHEMBL25613017

SCHEMBL25613017

C=C(Nc1ncc(-c2ccc(C#N)c(C(C)C)c2)s1)c1ccc(=O)[nH]c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 3/20 0.34
▸ CSNK2A1 P68400 3/20 0.34
▸ OTUD7B Q6GQQ9 3/20 0.33
▸ CCNE1 P24864 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CDK5 Q00535 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ SCD O00767 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ PDE10A Q9Y233 2/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ APOBEC3B Q9UH17 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25612826 0.78 XDH (0.43) CSNK2A2CSNK2A1KDM4EALDH1A1POLB
SCHEMBL25613016 0.72 MKNK1 (0.45) —
SCHEMBL25612824 0.67 MAPT (0.42) CSNK2A2CSNK2A1KDM4EALDH1A1POLB
SCHEMBL25418143 0.62 XDH (0.42) CSNK2A2CSNK2A1SCDKDRPDE10A
SCHEMBL25613441 0.61 USP30 (0.41) —
SCHEMBL25605337 0.59 MKNK1 (0.64) CCNE1CDK2
SCHEMBL29277511 0.58 CA1 (0.39) —
SCHEMBL17014697 0.58 ALDH1A1 (0.48) ALDH1A1KMT2A
SCHEMBL5836105 0.57 CDK2 (0.70) CCNE1CDK2CDK5KDM4EALDH1A1
SCHEMBL24617492 0.57 CYP11B1 (0.46) CDK5KDM4EALDH1A1LRRK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107714-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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